SCHEMBL6568705

SCHEMBL6568705

CCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.58
LPAR1 Q92633 2/20 0.58
ALDH1A1 P00352 1/20 0.55
ASAH1 Q13510 1/20 0.55
ACER2 Q5QJU3 1/20 0.55
PLA2G4A P47712 2/20 0.55
SMPD2 O60906 2/20 0.53
SMPD1 P17405 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6570354 1.00 LPAR3 (0.58) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL6570288 1.00 LPAR3 (0.58) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL6569383 1.00 LPAR3 (0.58) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL6569302 1.00 LPAR3 (0.58) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL7618294 1.00 LPAR3 (0.58) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL6569341 1.00 LPAR3 (0.58) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL6568701 0.99 LPAR3 (0.56) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL6568481 0.95 LPAR3 (0.52) LPAR3LPAR1ALDH1A1ASAH1ACER2
SCHEMBL13109903 0.93 LPAR3 (0.65) LPAR3LPAR1PLA2G4A
SCHEMBL13109905 0.93 LPAR3 (0.65) LPAR3LPAR1PLA2G4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP claimed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed